MPI-SCATCI
2.0
An MPI version of SCATCI
- g -
generate_orbital_index() :
alchemy_module::alchemyintegral
,
sweden_module::swedenintegral
generate_pair_index() :
alchemy_module::alchemyintegral
,
sweden_module::swedenintegral
generate_pairs() :
alchemy_module::alchemyintegral
,
sweden_module::swedenintegral
generate_pointer_table() :
alchemy_module::alchemyintegral
,
sweden_module::swedenintegral
generic_build() :
hamiltonian_module::generic_build
generic_clear() :
basematrix_module::generic_clear
generic_construct() :
basematrix_module::generic_construct
generic_destroy() :
baseintegral_module::generic_destroy
,
basematrix_module::generic_destroy
generic_diagonalize() :
diagonalizer_module::generic_diagonalize
generic_ecp() :
basecorepotential_module::generic_ecp
generic_energy() :
basecorepotential_module::generic_energy
generic_finalize() :
baseintegral_module::generic_finalize
generic_geometries() :
baseintegral_module::generic_geometries
generic_get() :
baseintegral_module::generic_get
,
basematrix_module::generic_get
generic_initialize() :
baseintegral_module::generic_initialize
generic_input() :
basecorepotential_module::generic_input
generic_insert() :
basematrix_module::generic_insert
generic_load() :
baseintegral_module::generic_load
get() :
matrixcache_module::matrixarray
get_available_global_memory() :
basemanager_module::basemanager
get_available_memory() :
basemanager_module::basemanager
,
memorymanager_module::memorymanager
get_boundary_data() :
postprocessing_module::outerinterface
get_channel_couplings() :
postprocessing_module::outerinterface
get_channel_info() :
postprocessing_module::outerinterface
get_chunk_idx() :
matrixcache_module::matrixcache
get_coeff_and_integral() :
contracted_symbolic_module::contractedsymbolicelementvector
,
symbolic_module::symbolicelementvector
get_coefficient() :
contracted_symbolic_module::contractedsymbolicelementvector
,
symbolic_module::symbolicelementvector
,
target_rmat_ci_module::target_rmat_ci
get_core_energy() :
baseintegral_module::baseintegral
get_determinants() :
csf_module::csforbital
get_electron_number() :
orbital_module::orbitaltable
get_from_cache() :
matrixcache_module::matrixcache
get_gerude() :
orbital_module::orbitaltable
get_integral_ijklm() :
alchemy_module::alchemyintegral
,
baseintegral_module::baseintegral
,
sweden_module::swedenintegral
,
ukrmol_module::ukrmolintegral
get_integral_label() :
contracted_symbolic_module::contractedsymbolicelementvector
,
symbolic_module::symbolicelementvector
get_integralf() :
baseintegral_module::baseintegral
get_local_mat() :
matrixcache_module::matrixcache
get_matelem_self() :
basematrix_module::basematrix
,
distributedmatrix_module::distributedmatrix
,
matrixelement_module::matrixelementvector
,
scalapackmatrix_module::scalapackmatrix
,
slepcmatrix_module::slepcmatrix
,
writermatrix_module::writermatrix
get_matrix_element() :
basematrix_module::basematrix
get_matrix_size() :
basematrix_module::basematrix
get_matrix_unit() :
writermatrix_module::writermatrix
get_mcon() :
orbital_module::orbitaltable
get_minimum_mcon() :
orbital_module::orbitaltable
get_num_nuclei() :
baseintegral_module::baseintegral
get_num_targets_sym1() :
contracted_symbolic_module::contractedsymbolicelementvector
get_num_targets_sym2() :
contracted_symbolic_module::contractedsymbolicelementvector
get_one_electron_index() :
alchemy_module::alchemyintegral
,
sweden_module::swedenintegral
get_orbital_number() :
orbital_module::orbitaltable
get_petsc_matrix() :
slepcmatrix_module::slepcmatrix
get_scaled_available_memory() :
memorymanager_module::memorymanager
get_size() :
basematrix_module::basematrix
,
contracted_symbolic_module::contractedsymbolicelementvector
,
matrixcache_module::matrixcache
,
symbolic_module::symbolicelementvector
get_spin() :
orbital_module::orbitaltable
get_starting_index() :
contracted_hamiltonian_module::contracted_hamiltonian
get_target_coeff() :
contracted_hamiltonian_module::contracted_hamiltonian
get_two_electron_index() :
alchemy_module::alchemyintegral
,
sweden_module::swedenintegral
get_two_minimum_mcon() :
orbital_module::orbitaltable
group_master_world_rank() :
parallelization_module::processgrid
Generated on Thu Nov 26 2020 16:37:08 for MPI-SCATCI by
1.8.20